4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1833 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C20 H20 F3 N7 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)n2c(c3cc(C(F)(F)F)nn3C)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8832 |
| logD: | 0.7695 |
| logSw: | -2.8966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.654 |
| InChI Key: | YJCQKOZVNOFMEJ-UHFFFAOYSA-N |